Vitas-M small molecule compound
(5E)-5-(3-bromo-5-ethoxy-4-methoxybenzylidene)-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374167
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)cc(c1OC)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H16BrClN2O4S MW 495.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O4S/c1-3-28-16-10-11(9-15(21)17(16)27-2)8-14-18(25)23-20(29)24(19(14)26)13-6-4-12(22)5-7-13/h4-10H,3H2,1-2H3,(H,23,25,29)/b14-8+InChIKey
PZARUEULBBWFLV-RIYZIHGNSA-NSynonyms
(5E)5((3BROMO5ETHOXY4METHOXYPHENYL)METHYLIDENE)1(4CHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3bromo5ethoxy4methoxybenzylidene)1(4chlorophenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)Br)OC
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)cc(c1OC)Br
InChI=1SC20H16BrClN2O4Sc1328161011(915(21)17(16)272)81418(25)2320(29)24(19(14)26)136412(22)5713h410H3H212H3(H232529)b148+
MFCD01470871
ZINC000001198033
ZINC01198033
ZINC1198033
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